Detailed information for compound 1013055

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.409 | Formula: C24H27Cl2N5O2
  • H donors: 2 H acceptors: 2 LogP: 5.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cc2c(cc1OC(C)C)ncc(c2Nc1cccc(c1Cl)Cl)C(=O)N
  • InChi: 1S/C24H27Cl2N5O2/c1-14(2)33-21-12-19-15(11-20(21)31-9-7-30(3)8-10-31)23(16(13-28-19)24(27)32)29-18-6-4-5-17(25)22(18)26/h4-6,11-14H,7-10H2,1-3H3,(H2,27,32)(H,28,29)
  • InChiKey: SISPHKIVBBRCSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0.0007 0.5
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0007 0.0007
Schistosoma mansoni dishevelled 0.001 0.0065 0.0065
Trypanosoma cruzi hypothetical protein 0.0007 0.0007 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0953 0.0953
Brugia malayi hypothetical protein 0.0269 0.5202 0.5199
Brugia malayi hypothetical protein 0.001 0.0065 0.0058
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0065 0.0111
Toxoplasma gondii kinesin motor domain-containing protein 0.0029 0.0444 1
Giardia lamblia Kinesin-5 0.0029 0.0444 0.5
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0065 0.0065
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0065 0.0111
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0007 0.0007 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0511 1 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0065 0.0111
Brugia malayi hypothetical protein 0.001 0.0065 0.0058
Brugia malayi N-terminal motif family protein 0.0205 0.3939 0.3935
Brugia malayi Kinesin motor domain containing protein 0.0029 0.0444 0.0438
Schistosoma mansoni kinesin eg-5 0.0029 0.0444 0.0444
Brugia malayi DIX domain containing protein 0.001 0.0065 0.0058
Trypanosoma cruzi hypothetical protein 0.0007 0.0007 0.5
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0007 0.0007 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0065 0.0058
Loa Loa (eye worm) hypothetical protein 0.001 0.0065 0.0058
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0007 0.0007
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0065 0.0111
Schistosoma mansoni hypothetical protein 0.0196 0.375 0.375
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0065 0.0058
Schistosoma mansoni survival motor neuron protein 0.0055 0.0953 0.0953
Onchocerca volvulus 0.001 0.0065 0.0146
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0953 0.0946
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0065 0.0146
Onchocerca volvulus 0.0055 0.0953 0.2405
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0205 0.3939 1
Schistosoma mansoni regulator of G protein signaling 0.001 0.0065 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.0511 1 1
Echinococcus granulosus kinesin family 1 0.0225 0.4331 0.8323
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0007 0.0007
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0007 0.0007
Echinococcus granulosus survival motor neuron protein 1 0.0269 0.5202 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0065 0.0058
Plasmodium vivax kinesin-5 0.0029 0.0444 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0269 0.5202 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0065 0.0058
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0007 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0065 0.0058
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0007 0.0007
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0065 0.0111
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0065 0.0058
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0065 0.0111
Loa Loa (eye worm) hypothetical protein 0.0269 0.5202 0.5199
Loa Loa (eye worm) kinesin-like protein KLP2 0.0029 0.0444 0.0438
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0065 0.0111
Loa Loa (eye worm) hypothetical protein 0.0205 0.3939 0.3935
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0065 0.0111
Plasmodium falciparum kinesin-5 0.0029 0.0444 0.5
Schistosoma mansoni dishevelled 0.001 0.0065 0.0065
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0065 0.0065
Trichomonas vaginalis ras GTP exchange factor, putative 0.0007 0.0007 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0065 0.0058
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0065 0.0111
Entamoeba histolytica kinesin, putative 0.0029 0.0444 1
Schistosoma mansoni dep domain containing protein 0.001 0.0065 0.0065
Echinococcus multilocularis kinesin family 1 0.0225 0.4331 0.8323
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0065 0.0111

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.05 uM Antiproliferative activity against mouse 3T3 cells expressing human CSF1R after 72 hrs by Celltiter assay ChEMBL. 19114305
Activity (binding) = 4.9 uM Inhibition of human ERG ChEMBL. 19114305
Inhibition (functional) = 35 % Inhibition of phosphorylated CSF1R level in 3T3/CSF1R mutant cells xenografted nude mouse at 25 mg/kg, po after 6 hrs by ELISA ChEMBL. 19114305
Inhibition (functional) = 70 % Inhibition of phosphorylated CSF1R level in 3T3/CSF1R mutant cells xenografted nude mouse at 25 mg/kg, po after 2 hrs by ELISA ChEMBL. 19114305

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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